dimethyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dimethyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-phenyl-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-phenyl-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C12H11N3O4/c1-18-11(16)9-13-10(12(17)19-2)15(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3